[(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-pyrrolidine-2-carboxylate

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-pyrrolidine-2-carboxylate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-pyrrolidine-2-carboxylate CAS Name: (2S)-2-pyrrolidinecarboxylic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-pyrrolidine-2-carboxylate Traditional Name: (2S)-pyrrolidine-2-carboxylic acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester Formula: C27H49NO4 MolecularWeight: 451.68226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C2CCCN2

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@@H]2CCCN2

InChI

InChI=1S/C27H49NO4/c1-3-5-7-9-10-11-12-13-14-17-22(31-27(30)24-19-16-20-28-24)21-25-23(26(29)32-25)18-15-8-6-4-2/h22-25,28H,3-21H2,1-2H3/t22-,23-,24-,25-/m0/s1